SCHEMBL13808409

SCHEMBL13808409

O=C(N1CCC(O)CC1)N1CC(c2ccc(OC(F)(F)F)cc2)CC(c2nc(-c3cccc(F)c3)co2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.51
CNR1 P21554 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
ABL1 P00519 6/20 0.42
GRM5 P41594 4/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
SCD5 Q86SK9 1/20 0.35
HTR2B P41595 1/20 0.35
BCR P11274 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12720001 0.92 F2R (0.49) F2RCNR1TMEM97ABL1GRM5
SCHEMBL12720301 0.92 F2R (0.47) F2RCNR1TMEM97ABL1GRM5
SCHEMBL12720275 0.89 F2R (0.43) F2RCNR1TMEM97ABL1GRM5
SCHEMBL12720577 0.88 F2R (0.51) F2RCNR1TMEM97ABL1MGLL
SCHEMBL641762 0.87 CNR1 (0.58) F2RCNR1TMEM97GRM5
SCHEMBL12720114 0.87 F2R (0.51) F2RCNR1TMEM97ABL1FAAH
SCHEMBL13808423 0.86 F2R (0.43) F2RGRM5SCD5
SCHEMBL12720338 0.85 GRM5 (0.38) F2RGRM5SCD5
SCHEMBL12719999 0.84 F2R (0.43) F2RGRM5
SCHEMBL641906 0.83 CNR1 (0.55) F2RCNR1TMEM97GRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed